N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C24H24ClN3O3 — CID 55584012

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C24H24ClN3O3/c1-27(24(14-8-7-13-21(24)29)18-11-5-6-12-19(18)25)22(30)15-20-16-9-3-4-10-17(16)23(31)28(2)26-20/h3-6,9-12H,7-8,13-15H2,1-2H3
InChIKeyLPKBGYSCHQDNNF-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.63
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 55584012) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID55584012
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C24H24ClN3O3/c1-27(24(14-8-7-13-21(24)29)18-11-5-6-12-19(18)25)22(30)15-20-16-9-3-4-10-17(16)23(31)28(2)26-20/h3-6,9-12H,7-8,13-15H2,1-2H3
InChIKeyLPKBGYSCHQDNNF-UHFFFAOYSA-N
XLogP3.63
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 55584012) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CN(C(=O)Cc1nn(C)c(=O)c2ccccc12)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is LPKBGYSCHQDNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-27(24(14-8-7-13-21(24)29)18-11-5-6-12-19(18)25)22(30)15-20-16-9-3-4-10-17(16)23(31)28(2)26-20/h3-6,9-12H,7-8,13-15H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 437.93 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 55584012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).